methyl 1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(3-cyanophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-cyanophenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyanophenyl)sulfonyl-4-phenyl-isonipecotic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-26-19(23)20(17-7-3-2-4-8-17)10-12-22(13-11-20)27(24,25)18-9-5-6-16(14-18)15-21/h2-9,14H,10-13H2,1H3